ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate

C14H18O3 — CID 122375941

IUPACethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate
SMILESC=C(c1ccccc1)[C@@H](C)[C@@H](O)C(=O)OCC
InChIInChI=1S/C14H18O3/c1-4-17-14(16)13(15)11(3)10(2)12-8-6-5-7-9-12/h5-9,11,13,15H,2,4H2,1,3H3/t11-,13-/m1/s1
InChIKeyZBCRIWLACYFDLG-DGCLKSJQSA-N
MW234.29 g/mol
LogP2.26
Rot. Bonds5

About ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate

ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate (PubChem CID 122375941) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate
PubChem CID122375941
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate
SMILESC=C(c1ccccc1)[C@@H](C)[C@@H](O)C(=O)OCC
InChIInChI=1S/C14H18O3/c1-4-17-14(16)13(15)11(3)10(2)12-8-6-5-7-9-12/h5-9,11,13,15H,2,4H2,1,3H3/t11-,13-/m1/s1
InChIKeyZBCRIWLACYFDLG-DGCLKSJQSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
ethyl 2-hydroxy-3-(phenacylideneamino)butanoate
CID 54144225
ethyl 2-hydroxy-3-phenylpentanoate
CID 66289618
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
ethyl 2-benzoyl-3,5-dimethyl-4-oxohex-5-enoate
CID 15882365
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
diethyl 2-(3-phenylpenta-3,4-dien-2-yl)propanedioate
CID 12814273
diethyl (2S,3R)-2-benzyl-3-hydroxybutanedioate
CID 12567693
diethyl (3S)-2-benzyl-3-hydroxybutanedioate
CID 57289528
triethyl 4-phenylpent-4-ene-1,1,2-tricarboxylate
CID 162400604

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate?
The IUPAC name of ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate (CID 122375941) is ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate.
What is the SMILES notation for ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate?
The canonical SMILES for ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate is C=C(c1ccccc1)[C@@H](C)[C@@H](O)C(=O)OCC.
What is the InChIKey of ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate?
The InChIKey is ZBCRIWLACYFDLG-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-17-14(16)13(15)11(3)10(2)12-8-6-5-7-9-12/h5-9,11,13,15H,2,4H2,1,3H3/t11-,13-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate?
ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate is sourced from PubChem (CID 122375941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).